Chem
J-GLOBAL ID：200907048276878380   Nikkaji number：J1.333.039E

TMC-151C

TMC-151C
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C41H74O15
Molecular formula furigana： C41-H74-O15
Molecular weight： 807.028
InChI： InChI=1S/C41H74O15/c1-11-20(2)12-21(3)13-26(8)39(56-41-38(52)37(51)36(50)31(18-43)55-41)27(9)15-24(6)32(46)22(4)14-23(5)33(47)25(7)16-28(10)40(53)54-19-30(45)35(49)34(48)29(44)17-42/h14-16,20-22,25-27,29-39,41-52H,11-13,17-19H2,1-10H3/b23-14+,24-15+,28-16+/t20-,21-,22-,25-,26-,27-,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+,41-/m0/s1
InChI key： VIWWSCLCWIDLRT-RFEPXNHGSA-N
SMILES： CC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)/C=C(\C)/[C@@H](O)[C@@H](C)/C=C(\C)/[C@@H](O)[C@@H](C)/C=C(\C)/C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Systematic name  (3)：
  • (2E,4S,5S,6E,8S,9S,10E,12S,13R,14S,16S,18S)-5,9-ジヒドロキシ-13-(β-D-マンノピラノシルオキシ)-2,4,6,8,10,12,14,16,18-ノナメチル-2,6,10-イコサトリエン酸[(2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル]
  • (2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル (2E,4S,5S,6E,8S,9S,10E,12S,13R,14S,16S,18S)-5,9-ジヒドロキシ-2,4,6,8,10,12,14,16,18-ノナメチル-13-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}イコサ-2,6,10-トリエノアート
  • (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl (2E,4S,5S,6E,8S,9S,10E,12S,13R,14S,16S,18S)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-2,6,10-trienoate
Other name (3)：
  • (2E,4S,5S,6E,8S,9S,10E,12S,13R,14S,16S,18S)-5,9-Dihydroxy-13-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-icosatrienoic acid [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] ester
  • TMC-151C
  • (+)-TMC-151C
KEGG COMPOUND： C15838
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